2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane

C22H44 — CID 145389725

IUPAC2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane
SMILESC.CC.CCC.CCC(C)(C)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26.C3H8.C2H6.CH4/c1-8-16(6,7)14(5)15-12(3)9-11(2)10-13(15)4;1-3-2;1-2;/h9-10,14H,8H2,1-7H3;3H2,1-2H3;1-2H3;1H4
InChIKeyKAPPKDNYSNRJLW-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.23
Rot. Bonds3

About 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane

2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane (PubChem CID 145389725) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane.

Molecular Properties

Compound Name2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane
PubChem CID145389725
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane
SMILESC.CC.CCC.CCC(C)(C)C(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26.C3H8.C2H6.CH4/c1-8-16(6,7)14(5)15-12(3)9-11(2)10-13(15)4;1-3-2;1-2;/h9-10,14H,8H2,1-7H3;3H2,1-2H3;1-2H3;1H4
InChIKeyKAPPKDNYSNRJLW-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
N,2,2-trimethyl-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 116949010
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987069
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane?
The IUPAC name of 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane (CID 145389725) is 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane.
What is the SMILES notation for 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane?
The canonical SMILES for 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane is C.CC.CCC.CCC(C)(C)C(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane?
The InChIKey is KAPPKDNYSNRJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C3H8.C2H6.CH4/c1-8-16(6,7)14(5)15-12(3)9-11(2)10-13(15)4;1-3-2;1-2;/h9-10,14H,8H2,1-7H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane?
2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane has a molecular weight of 308.59 g/mol, XLogP of 8.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpentan-2-yl)-1,3,5-trimethylbenzene;ethane;methane;propane is sourced from PubChem (CID 145389725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).